CAS Number218600-53-4
SynonymsMethyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate; 2-cyano-3,12-dioxoolean-1,9(11)-dien-28-oic acid methyl ester; 2-Cyano-3-(2-thienyl)thioacrylamide; Bardoxolone (methyl); 2-cyano-3-(thiophen-2-yl)thioacrylamide; 2-cyano-3,12-dioxooleane-1,9(11)-dien-28-oic acid methyl ester; Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester; Bardoxolone methyl; Propenethiamide,2-cyano-3-(2-thienyl); 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-acid methyl ester; 2-cyano-3-(2-thienyl)-2-propenethioamide; 2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid,methyl ester; (2E)-2-Cyano-3-(2-thienyl)-2-propenethioamide; Bardoxolone methyl ester; (E)-2-cyano-3-thiophen-2-yl-thioacrylamide; 2-cyano-3-thien-2-ylprop-2-enethioamide; RTA-402
Molecular FormulaC32H43NO4
Molecular Weight505.69
Purity≥98 (HPLC)%
Density1.2±0.1 g/cm3
Boiling Point600.8±55.0 °C at 760 mmHg
Melting Point215-223 °C
Appearancepowder
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 218600-53-4 |
| Catalog No. | 2A-9059827 |
| Chinese Name | 甲基巴多索隆 |
| Synonyms | Methyl 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-oate; 2-cyano-3,12-dioxoolean-1,9(11)-dien-28-oic acid methyl ester; 2-Cyano-3-(2-thienyl)thioacrylamide; Bardoxolone (methyl); 2-cyano-3-(thiophen-2-yl)thioacrylamide; 2-cyano-3,12-dioxooleane-1,9(11)-dien-28-oic acid methyl ester; Oleana-1,9(11)-dien-28-oic acid, 2-cyano-3,12-dioxo-, methyl ester; Bardoxolone methyl; Propenethiamide,2-cyano-3-(2-thienyl); 2-cyano-3,12-dioxooleana-1,9(11)-dien-28-acid methyl ester; 2-cyano-3-(2-thienyl)-2-propenethioamide; 2-cyano-3,12-dioxoolean-1,9-dien-28-oic acid,methyl ester; (2E)-2-Cyano-3-(2-thienyl)-2-propenethioamide; Bardoxolone methyl ester; (E)-2-cyano-3-thiophen-2-yl-thioacrylamide; 2-cyano-3-thien-2-ylprop-2-enethioamide; RTA-402 |
| Molecular Formula | C32H43NO4 |
| Molecular Weight | 505.69 |
| Purity | ≥98 (HPLC) |
| Density | 1.2±0.1 g/cm3 |
| Boiling Point | 600.8±55.0 °C at 760 mmHg |
| Melting Point | 215-223 °C |
| Appearance | powder |
| Storage Condition | -20 °C |
| Application | Bardoxolone is a synthetic triterpenoid with potential anti-tumor and anti-inflammatory activities, acting as an activator of the Nrf2 pathway and an inhibitor of the NF-κB pathway. |
| HTC | 2926909090 |
| PubChem ID | 329824977 |
| MDL Number | MFCD11983137 |
| SMILES | CC1(C)CC[C@]2(C(OC)=O)CC[C@@]([C@@]3([H])[C@]2([H])C1)(C)[C@]4(C)CC[C@@]5([H])C(C)(C)C(C(C#N)=C[C@]5(C)C4=CC3=O)=O |
| InChI | 1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1 |
| InChI Key | WPTTVJLTNAWYAO-KPOXMGGZSA-N |
| NACRES Code | NA.25 |
| UNSPSC | 12352205 |
| MSDS | msds/59827_1_218600_53_4.pdf |
| Use of | Bardoxolone is a synthetic triterpenoid compound with potential antineoplastic and anti-inflammatory activities, acting as an activator of the Nrf2 pathway and an inhibitor of the NF-κB pathway. Properties Name methyl (4aS,6aR,6bS,8aR,12aS,14bS)-11-cyano-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylate Synonym More Synonyms Bardoxolone Methyl Biological Activity Description Bardoxolone is a synthetic triterpenoid compound with potential antineoplastic and anti-inflammatory activities, acting as an activator of the Nrf2 pathway and an inhibitor of the NF-κB pathway. Related Catalog Signaling Pathways >> Autophagy >> Autophagy Signaling Pathways >> NF-κB >> Keap1-Nrf2 Research Areas >> Cancer References [1]. Reisman SA, et al. Bardoxolone Methyl Decreases Megalin and Activates Nrf2 in the Kidney. J Am Soc Nephrol. 2012 Aug 2. [2]. McCullough PA, et al. Cardiac and renal function in patients with type 2 diabetes who have chronic kidney disease: potential effects of bardoxolone methyl. Drug Des Devel Ther. 2012;6:141-9. Chemical & Physical Properties Molecular Formula C32H43NO4 Exact Mass 505.319214 PSA 84.23000 Index of Refraction 1.559 InChIKey WPTTVJLTNAWYAO-UFHYVYMVSA-N Safety Information RIDADR NONH for all modes of transport HS Code 2926909090 Synthetic Route Methyl (5ξ,1... 305818-40-0 Bardoxolone Met... 218600-53-4 Literature: Honda; Rounds; Bore; Finlay; Favaloro Jr.; Suh; Wang; Sporn; Gribble Journal of Medicinal Chemistry, 2000 , vol. 43, # 22 p. 4233 - 4246 Oleanic acid Bardoxolone Met... 218600-53-4 Literature: Organic Letters, , vol. 15, # 7 p. 1622 - 1625 Methyl oleanola... Bardoxolone Met... 218600-53-4 Literature: Organic Letters, , vol. 15, # 7 p. 1622 - 1625 Precursor & DownStream Precursor 8 CAS#:305818-40-0 Methyl (5ξ,18α)... CAS#:508-02-1 Oleanic acid CAS#:1724-17-0 Methyl oleanolate CAS#:65023-19-0 Methyl (3α,5ξ,1... DownStream 1 CAS#:218600-44-3 Bardoxolone |
| Tax Rebate | 9.0% |
| Supervision | None MFN tariff: 6.5% Ordinary tariff: 30.0% |
| Transport Info | Product name: Summary HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0% |
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